CID 89865

2-phenoxyethyl carbonate(2:1)

Structural Information

Molecular Formula
C17H18O5
SMILES
C1=CC=C(C=C1)OCCOC(=O)OCCOC2=CC=CC=C2
InChI
InChI=1S/C17H18O5/c18-17(21-13-11-19-15-7-3-1-4-8-15)22-14-12-20-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
CGNVHKVTWSUAJF-UHFFFAOYSA-N
Compound name
bis(2-phenoxyethyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

302.11542 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.122696 169.3
[M+Na]+ 325.104638 174.2
[M-H]- 301.108144 175.1
[M+NH4]+ 320.149243 183.4
[M+K]+ 341.078578 172.5
[M+H-H2O]+ 285.112680 160.4
[M+HCOO]- 347.113621 192.9
[M+CH3COO]- 361.129271 199.9
[M+Na-2H]- 323.090086 174.5
[M]+ 302.11487142 174.9
[M]- 302.11596858 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe